±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1236  |  »Ø¸´: 3

yuliwang

ľ³æ (ÕýʽдÊÖ)

[ÇóÖú] Çó×飬ÔÚ¸ß˹¼ÆËãÖгöÏÖÕâÑù´íÎóÊÇΪʲô£¿ ÒÑÓÐ1È˲ÎÓë

Sample Text
±¾ÈËÀûÓøß˹09ÖеÄDFTÄ£¿é£¬ÓÃB3LYP»ù×飬¼ÆËãÒ»¸ö±È½Ï´óµÄ³í»··¼Ìþ£¨ÔªËØÖ»ÓÐ̼ºÍÇ⣩£¬»ú¹¹¶Ô³Æ£¬ÔÚËãÀ­ÂüƵÂÊʱ³öÏÖÕâÑùµÄ´íÎ󣺡°Gaussian error detected line number 971 ¡±£¬ÕâÊÇÒòΪʲô£¬ÎÒ¸ÃÔõô½â¾ö£¡Ð»Ð»¡£
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

marson

Òø³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ÊäÈëÎļþ´íÎó£¬ÖØÐ¼ì²éÊäÈëÎļþ~
˼ÏëÓжàÔ¶£¬ÎÒÃǾÍÄÜ×ß¶àÔ¶~
2Â¥2013-05-10 10:39:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yuliwang

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
2Â¥: Originally posted by marson at 2013-05-10 10:39:38
ÊäÈëÎļþ´íÎó£¬ÖØÐ¼ì²éÊäÈëÎļþ~

¼ì²éÁË£¬»¹ÊÇÕâ¸öÎÊÌ⣡ÄܸøµãÓн¨ÉèÐÔµÄÒâ¼ûÂð£¬Ð»Ð»£¡
3Â¥2014-05-07 22:46:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ǹÏÂÓλê

ľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
gmy1990: ½ð±Ò+2 2014-05-08 23:12:31
ÒýÓûØÌû:
3Â¥: Originally posted by yuliwang at 2014-05-07 22:46:38
¼ì²éÁË£¬»¹ÊÇÕâ¸öÎÊÌ⣡ÄܸøµãÓн¨ÉèÐÔµÄÒâ¼ûÂð£¬Ð»Ð»£¡...

Ò»²»¸ø³öÊäÈëÎļþ
¶þ²»¸ø³öÊä³öÎļþ
ÎÒÃÇÔõô֪µÀµÚ971ÐÐдµÄɶ£¿Ôõô¸øÄ㽨ÉèÐÔµÄÒâ¼ûÄØ£¿
ÌáÎʼ¼ÇÉÓдýÌá¸ß°¡Í¬Ñ§¡£

¸ù¾ÝÄãÏÖÓеÄÃèÊö£¬Äã¿ÉÒÔÓÃGV´ò¿ªÊäÈëÎļþ¿´µ½·Ö×Óô£¿²»ÄܵϰºÜ¿ÉÄÜÊÇ·Ö×ÓÃèÊöÄÇ¿éµÄÎÊÌ⣬Äܵϰ¾ÍµÃ¿´Êä³öÎļþÁË¡£

ÁíÍâͲÛÏÂÕâ¸öÎÊÌâ¾À½áÁËÄãÒ»Ä껹û½â¾ö£¿

PS£ºB3LYP²»ÊÇ»ù×é
4Â¥2014-05-08 08:10:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ yuliwang µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 085701»·¾³¹¤³Ì£¬267Çóµ÷¼Á +12 minht 2026-03-26 12/600 2026-03-27 22:22 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 266·ÖÇó²ÄÁÏ»¯¹¤Ò±½ð¿óÒµµÈרҵµÄµ÷¼Á +4 ÍÛºôºßºôºß 2026-03-26 4/200 2026-03-27 17:02 by zhyzzh
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄÏʦ´ó0703»¯Ñ§ 275Çóµ÷¼Á +4 RipcordÉϰ¶ 2026-03-27 4/200 2026-03-27 17:00 by zhyzzh
[¿¼ÑÐ] ²ÄÁÏ292µ÷¼Á +12 éÙËÌ˼ÃÀÈË 2026-03-23 12/600 2026-03-27 15:44 by caszguilin
[¿¼ÑÐ] 0856µ÷¼Á +5 ÇóÇóÈÃÎÒÓÐÊé¶Á° 2026-03-26 6/300 2026-03-27 15:12 by caszguilin
[¿¼ÑÐ] 315µ÷¼Á +4 0860Çóµ÷¼Á 2026-03-26 5/250 2026-03-27 11:23 by wangjy2002
[¿¼ÑÐ] 304Çóµ÷¼Á +3 ÂüÊâ2266 2026-03-27 3/150 2026-03-27 10:17 by guoweigw
[¿¼ÑÐ] 276Çóµ÷¼Á¡£ÓаëÄêµç³ØºÍ°ëÄê¸ß·Ö×Óʵϰ¾­Àú +10 ²ÄÁÏѧ257Çóµ÷¼Á 2026-03-23 11/550 2026-03-27 10:13 by YCIT- LHL
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸ ÄϾ©º½¿Õº½Ìì´óѧ´óѧ £¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ìѧ˶ +4 @taotao 2026-03-26 5/250 2026-03-27 08:10 by hypershenger
[¿¼ÑÐ] 324Çóµ÷¼Á +8 hanamiko 2026-03-26 10/500 2026-03-27 08:06 by hypershenger
[˶²©¼ÒÔ°] ÕÐÊÕÉúÎïѧ/ϸ°ûÉúÎïѧµ÷¼Á +3 IceGuo 2026-03-26 4/200 2026-03-27 05:35 by user003
[¿¼ÑÐ] 321Çóµ÷¼Á +6 Ymlll 2026-03-24 6/300 2026-03-26 20:50 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] Ò»Ö¾Ô¸ÏÃÃÅ´óѧ»¯Ñ§Ñ§Ë¶307Çóµ÷¼Á +8 y7czhao 2026-03-26 8/400 2026-03-26 19:51 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] ¸÷λÀÏʦÄúºÃ£º±¾È˳õÊÔ372·Ö +5 jjÓ¿77 2026-03-25 6/300 2026-03-25 14:15 by mapenggao
[¿¼ÑÐ] Ò»Ö¾Ô¸¼ªÁÖ´óѧ²ÄÁÏÓ뻯¹¤303·ÖÇóµ÷¼Á +4 Ϊѧ666 2026-03-24 4/200 2026-03-25 11:27 by BruceLiu320
[¿¼ÑÐ] »¯¹¤×¨Ë¶Çóµ÷¼Á +3 questionÍì·ç 2026-03-24 3/150 2026-03-24 18:48 by jhhcooi
[¿¼ÑÐ] 070300£¬Ò»Ö¾Ô¸±±º½320Çóµ÷¼Á +3 Jerry0216 2026-03-22 5/250 2026-03-23 09:16 by ¡£¡£ÌÃÌÃ
[¿¼ÑÐ] Ò»Ö¾Ô¸070300Õã´ó»¯Ñ§358·Ö£¬Çóµ÷¼Á£¡ +4 ËÖËÖÓã.. 2026-03-21 4/200 2026-03-23 08:12 by Iveryant
[¿¼ÑÐ] Çóµ÷¼Á +5 Zhangbod 2026-03-21 7/350 2026-03-22 13:13 by Zhangbod
[¿¼ÑÐ] Ò»Ö¾Ô¸¶«»ª´óѧ¿ØÖÆÑ§Ë¶320Çóµ÷¼Á +3 Grand777 2026-03-21 3/150 2026-03-21 19:23 by ¼òÖ®-
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û